GPCRdb

CHEMBL3339379

Agent/drug
Bioactivity

CHEMBL3339379

SMILES	O=C(NCCc1ccccc1)C1=N[C@@]23CC[C@]1(O)C1Oc4c(O)ccc5c4C12CCN(CC1CC1)C3C5
InChIKey	HKIHGXVMQLQUIN-LBWTYPISSA-N

Chemical Properties

Hydrogen bond acceptors	6
Hydrogen bond donors	3
Rotatable bonds	6
Molecular weight (Da)	499.2

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Bioactivities

Affinity
Potency

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

δ	OPRD	Mouse	Opioid	A	pKi	9.07	9.07	9.07	ChEMBL
κ	OPRK	Guinea pig	Opioid	A	pKi	9.92	9.92	9.92	ChEMBL
μ	OPRM	Mouse	Opioid	A	pKi	9.40	9.40	9.40	ChEMBL

Showing 1 to 3 of 3 entries

Search:

Receptor					Activity				Source

Protein	Gene	Species	Family	Class	Type	Min	Avg	Max	Database

κ	OPRK	Human	Opioid	A	pEC50	9.74	9.74	9.74	ChEMBL
μ	OPRM	Human	Opioid	A	pEC50	8.96	8.96	8.96	ChEMBL

Showing 1 to 2 of 2 entries

CHEMBL3339379

Drug properties

Molecular type	Small molecule
Physiological/Surrogate	Surrogate
Approved drug	No

Distribution across phases (no. indications)

Phase I 0

Phase II 0

Phase III 0

Phase IV

Database connections

ChEMBL_compound_ids PubChem GPCRdb

Compound is not listed as a drug.